CID 1473137

156459-19-7

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

COC(C1=CC=C(C(=O)N1)C#N)OC

InChI

InChI=1S/C9H10N2O3/c1-13-9(14-2)7-4-3-6(5-10)8(12)11-7/h3-4,9H,1-2H3,(H,11,12)

InChIKey

XUBFOTULRCXHJD-UHFFFAOYSA-N

Compound name

6-(dimethoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 13
Patents: 194.06914 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.07642	140.1
[M+Na]+	217.05836	151.4
[M+NH4]+	212.10296	143.3
[M+K]+	233.03230	143.8
[M-H]-	193.06186	132.9
[M+Na-2H]-	215.04381	142.8
[M]+	194.06859	138.6
[M]-	194.06969	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe